4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]-N-(2-phenylcyclopropyl)piperazine-1-carboxamide

Systemtic Name: 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]-N-(2-phenylcyclopropyl)piperazine-1-carboxamide Openeye Name: 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]-N-(2-phenylcyclopropyl)piperazine-1-carboxamide CAS Name: 4-[[3-[(4-isocyanophenyl)methyl]-4-imidazolyl]methyl]-N-(2-phenylcyclopropyl)-1-piperazinecarboxamide IUPAC Name: 4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]-N-(2-phenylcyclopropyl)piperazine-1-carboxamide Traditional Name: 4-[[3-(4-isocyanobenzyl)imidazol-4-yl]methyl]-N-(2-phenylcyclopropyl)piperazine-1-carboxamide Formula: C26H28N6O MolecularWeight: 440.54012

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)CN2C=NC=C2CN3CCN(CC3)C(=O)NC4CC4C5=CC=CC=C5

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)CN2C=NC=C2CN3CCN(CC3)C(=O)NC4CC4C5=CC=CC=C5

InChI

InChI=1S/C26H28N6O/c1-27-22-9-7-20(8-10-22)17-32-19-28-16-23(32)18-30-11-13-31(14-12-30)26(33)29-25-15-24(25)21-5-3-2-4-6-21/h2-10,16,19,24-25H,11-15,17-18H2,(H,29,33)